- InChI
- InChI=1S/C18H22F3NO4/c1-3-4-5-9-26-18(24)13-7-6-8-22(13)17(23)11-10-12(19)15(21)16(25-2)14(11)20/h10,13H,3-9H2,1-2H3
- InChI Key
- CNYGGQKMWZGFMO-UHFFFAOYSA-N
- Formula
- C18H22F3NO4
- SMILES
-
CCCCCOC(=O)C1CCCN1C(=O)c1cc(F)
c(F)c(OC)c1F - Molecular Weight1
- 373.37
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8636 | Relay (... Calculated Property | |
| ΔfG° | -680.65 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1139.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 95.24 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -4.58 | Relay (... Calculated Property | |
| logPoct/wat | 3.451 | Crippen Calculated Property | |
| McVol | 260.030 | ml/mol | McGowan Calculated Property |
| Pc | 1311.27 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2398.00; 2398.00] |
|
|
| Inp | 2398.00 | NIST | |
| Inp | 2398.00 | NIST | |
| Tboil | 639.60 | K | Relay (... Calculated Property |
| Tc | 861.06 | K | Relay (... Calculated Property |
| Tfus | 349.50 | K | Relay (... Calculated Property |
| Vc | 0.961 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, pentyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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